Article
Spectroscopy
Diwen Liu, Shuyun Huang, Xianzhong Wang, Rongjian Sa
Summary: First-principles calculations were conducted to investigate the structural, mechanical, electronic, and optical properties of ASbS(2) and Na1-xLixSbS2 solid solutions, revealing suitable band gaps for solar cells and the potential for tuning the band gap of NaSbS2 by manipulating Li doping. Alloying was found to be a feasible and effective approach for improving the photovoltaic performance of NaSbS2-based solar cells.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
H. Joshi, R. K. Thapa, Amel Laref, Worasak Sukkabot, Lalrinthara Pachuau, Lalmuanpuia Vanchhawng, P. Grima-Gallardo, M. Musa H-E Saad, D. P. Rai
Summary: First Principles calculations were performed on CsPbBr3 to investigate its elastic, electronic and optoelectronic properties. The results show that the calculated energy bandgap is similar to experimentally measured values and the optical spectra exhibit high absorption coefficients in the range of 3-6 eV.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Diwen Liu, Huan Peng, Qiaohong Li, Rongjian Sa
Summary: The study found that CsGeX3 and Cs2GeCl6 are stable at room temperature, while Cs2GeBr6 and Cs2GeI6 are unstable. A phase transition occurs in CsGe1-xSnxI3 systems when the Sn doping ratio is over 0.53, and CsGe2/3Sn1/3I3 and CsGe0.25Sn0.75I3 show a potential tendency for phase segregation, making them promising candidates for solar cells. Overall, the novel lead-free mixed Ge-Sn perovskites demonstrate favorable optoelectronic properties for single-junction solar cells.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Chemistry, Physical
Diwen Liu, Xueyou Wang, Yanjie Zhang, Rongjian Sa
Summary: The theoretical investigation on the effect of Hg doping on zinc-blende CdSe reveals its positive impact on stability, mechanical, electronic, and optical properties. Cd0.75Hg0.25Se is confirmed to be stable and ductile, with a suitable band gap value. The optical absorption ability of Cd0.75Hg0.25Se is greatly improved, making it a potential material for single-junction solar cells.
Article
Physics, Condensed Matter
Adeeba Naz, Shatha A. Aldaghfag, Muhammad Yaseen, Mehwish K. Butt, Muhammad Kashif, Muhammad Zahid, Shanza Mubashir, H. H. Somaily
Summary: In this study, the FP-LAPW method based on DFT was used to investigate the effects of Ce doping on the band structure and optical properties of BaTiO3 compound. The results revealed that Ce doping can transform Ba1-xCexTiO3 from an indirect band gap semiconductor to a direct band gap semiconductor, and the band gap width decreases with the increase of Ce concentration. Furthermore, the optical behavior of Ba1-xCexTiO3 compounds was evaluated, and it was found that Ce doping could make BaTiO3 compound promising for optical and optoelectronic devices.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Materials Science, Multidisciplinary
Rongjian Sa, Qiqi Zhang, Yuqing Yang, Diwen Liu
Summary: In this study, a theoretical approach was used to investigate the electronic and optical properties of alloyed Na1-xAgxSbS2 compounds. The results showed that NaSbS2 has good stability when the Ag doping concentration is 50%, and alloying can improve its photovoltaic efficiency.
MATERIALS RESEARCH BULLETIN
(2022)
Article
Engineering, Electrical & Electronic
Ahmad Ayyaz, G. Murtaza, Ahmad Usman, M. Umer, M. Qasim Shah, H. Saad Ali
Summary: In this article, the structural properties, mechanical stability, and electronic, optical, and thermoelectric response of novel lead-free double perovskites Rb2ScCuBr6 and Cs2ScCuBr6 were investigated. The results showed that both materials exhibited stable structures, anisotropic behavior, and semiconducting properties. Furthermore, they had high optical bandgaps and figure of merit, making them potential materials for photovoltaic and thermoelectric applications.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Daniel B. Straus, Robert J. Cava
Summary: By using solid-state synthesis, the band gap of halide perovskite CsPbBr3 can be continuously widened through homovalent substitution, allowing its optical properties to be tailored for absorptive and emissive applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Inorganic & Nuclear
Rongjian Sa, Qiqi Zhang, Benlong Luo, Diwen Liu
Summary: This study investigated the structural stability, mechanical, electronic and optical properties of vacancy-ordered double perovskites Cs2PtX6 (X = Cl, Br, I) through first-principles calculations. The results show that these compounds are suitable for single-junction solar cells.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Jiao Wang, Yan-fei Huang, Wei-ling Guo, Zhi-guo Xing, Hai-dou Wang, Zhen-lin Lu, Zhi-nan Zhang
Summary: The study investigated the optical, structural, and electrical characteristics of barium titanate doping, revealing changes in band gap and band state density. Additionally, the transformation from cubic to tetragonal phase enhanced the material quality.
Article
Chemistry, Physical
Diwen Liu, Jinrong Feng, Mengji Tian, Qiaohong Li, Rongjian Sa
Summary: In this study, the effect of hydrostatic pressure on the stability, electronic, and optical properties of CdTe was systematically investigated using density functional theory (DFT). The calculations showed that CdTe remains dynamically stable at high pressure, with an increased band gap and reduced optical absorption coefficient in the visible light region. These findings are consistent with previous experimental results and indicate CdTe's potential for application in stable and high-efficiency thin-film solar cells.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Materials Science, Ceramics
Dongwen Gao, Li Wang, Xueqiong Su
Summary: This study investigates the influence of different doping ratios on the composition, structure, morphology, and luminescence properties of bulk ceramics, determining the optimum doping ratio in this range. The research enhances the optical performance of the material, suggesting improved microstructural, optical, and electrical properties for potential use in new optoelectronic devices.
CERAMICS INTERNATIONAL
(2021)
Article
Materials Science, Ceramics
Towseef Ahmad, Mohd Zubair Ansari
Summary: Recent developments in the field of nanomaterials have shown the importance of using doping techniques to achieve multifunctionality in materials. In this study, Sb-doped SnO2 nanoparticles were successfully prepared using a sol-gel approach. Various characterization techniques were used to investigate the effect of Sb doping on the structural and optical properties of SnO2, as well as the photocatalytic capabilities of the prepared nanoparticles. The results showed that Sb doping influenced the crystallite size and band gap energy of SnO2, leading to enhanced absorption in the visible light range and improved photocatalytic activity.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Rongjian Sa, Diwen Liu
Summary: The impact of Na as a dopant for Cu on the properties of quaternary chalcogenide compounds has been studied, and the results show that the tunable band gaps and enhanced light absorption make them promising for solar cell applications.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Materials Science, Multidisciplinary
Ahmed M. Bolbol, Omar H. Abd-Elkader, Hassan Elshimy, Zaki I. Zaki, Salah A. Shata, M. Kamel, Ahmed S. Radwan, Nasser Y. Mostafa
Summary: In this study, dense thin films of TiO2 and TiO2 doped with Zr4+ were prepared using spin coating on glass substrate and characterized. The results showed that doping Zr4+ can change the optical and crystalline structure properties of TiO2, with higher doping concentration leading to lower band gap energy, slight lattice enlargement, and smaller crystal size. Additionally, the doped films exhibited typical photoluminescence in the visible spectrum region and had a lower rate of electron-hole recombination.
RESULTS IN PHYSICS
(2022)
Article
Engineering, Environmental
Haowei Lv, Pengyue Li, Xiaoju Li, Aicheng Chen, Rongjian Sa, Hu Zhu, Ruihu Wang
Summary: In this study, covalent organic framework nanosheets containing bis-chelating Ni coordination sites were reported for the selective photoreduction of diluted CO2. The results showed that bis-chelating metal coordination units were more favorable active sites for the photocatalytic reduction of diluted CO2, leading to improved catalytic efficiency and selectivity.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Xiahong Xu, Hong Zhong, Wei Huang, Yan Sui, Rongjian Sa, Wentong Chen, Gangyong Zhou, Xiaodan Li, Duofu Li, Meicheng Wen, Bo Jiang
Summary: This article presents a conjugated organic polymer that can efficiently produce hydrogen peroxide from water and oxygen under visible light irradiation. The polymer has excellent photocatalytic performance and can generate hydrogen peroxide at a high rate without the use of any additives.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Diwen Liu, Hongyan Zeng, Rongjian Sa
Summary: The structural parameters, dynamic stability, electronic, and optical properties of Zn1-xCdxTe, Zn1-xHgxTe, and Cd1-xHgxTe ternary alloys were systematically studied. These ternary alloys were found to be dynamically stable. Direct electronic transitions were allowed at the Gamma point for all compounds. The band gap energy showed a drastic decrease from ZnTe to HgTe. By alloy engineering, the band gap energy could be varied in a wide range of 0-2 eV. Several novel compounds exhibited suitable band gaps (1.3-1.6 eV) and good carrier mobility for potential optoelectronic applications. Optical properties were compared in the visible region, and an improvement in the absorption coefficient was observed for Zn0.75Hg0.25Te and Cd0.75Hg0.25Te. This study will contribute to the discovery of desired materials with low toxicity and high efficiency for solar cells.
Article
Physics, Condensed Matter
Meng Liu, Mengli Qin, Rongjian Sa, Diwen Liu
Summary: In this study, the structural, elastic, electronic, and optical properties of BaGe2P2 and BaGe2As2 have been extensively investigated. The simulated structural parameters are consistent with experimental data. Both compounds are mechanically stable and brittle materials. They are found to be indirect band gap semiconductors, with the band gap reduction attributed to the substitution of P by As. The calculated band gap of BaGe2P2 is suitable for optoelectronic applications. The analysis of optical properties reveals that BaGe2P2 exhibits strong optical absorption in the visible region. This work provides valuable information for further experimental exploration of BaGe2P2's potential in solar cells.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Chemistry, Physical
Xiaojing Liu, Shuaishuai Gao, Zhiwei Wang, Yujie Sun, Guoning Feng, Xin Chen, Rongjian Sa, Qiaohong Li, Zuju Ma
Summary: This study presents a new design of van der Waals heterogeneous single-atom catalysts (vdW-SACs) for electrocatalytic nitrogen reduction reaction (eNRR). Large-scale density functional theory (DFT) calculations were employed to investigate the stability, NRR activity, and selectivity of these vdW-SACs. It was found that the W-C3/P-C3 catalyst exhibits the highest activity with the lowest overpotential due to the asymmetric active sites and the pd hybridization between W 5d orbitals and N2 π* antibonding orbitals. This research provides new insights for the development of advanced electrocatalysts for NRR and beyond.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Diwen Liu, Huihui Zeng, Rongjian Sa
Summary: This study reveals for the first time the energetic stability, elastic parameters, electronic structures, effective masses, and optical properties of BaM2As2 (M = Mg, Zn, Cd) and their alloys. The preferred phase for BaMg2As2 and BaCd2As2 is trigonal, while BaZn2As2 may have an additional stable trigonal phase. The dynamical stability is identified for four novel compounds, and their mechanical stability is confirmed. The band gap energy decreases significantly from BaMg2As2 (1.64 eV) to BaCd2As2 (0.80 eV). Different electronic properties are found for three phases of BaZn2As2. The band gap calculations agree with experimental results. The bandgap transition behavior and optoelectronic properties of three alloys are disclosed, with Ba(Mg0.5Zn0.5)2As2 and Ba(Mg0.5Cd0.5)2As2 showing desirable optoelectronic properties. These findings are expected to assist in discovering novel stable inorganic compounds for potential photovoltaic applications.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Physical
Hao Luo, Tianshang Shan, Jianwen Zhou, Liulian Huang, Lihui Chen, Rongjian Sa, Yusuke Yamauchi, Jungmok You, Yusuke Asakura, Zhanhui Yuan, He Xiao
Summary: Solar-driven photocatalytic route for H2O2 production has gained attention. Carbon ring incorporated hollow g-C3N4 tubes (CHCN) with significantly higher H2O2 yield than bulk g-C3N4 were successfully fabricated. The optimized CHCN catalyst demonstrated efficient ORR routes for H2O2 production. This work provides a new strategy for efficient H2O2 formation and explores the mechanism of the ORR process for highly efficient H2O2 generation.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Materials Science, Ceramics
Huanhuan Zhai, Zhuolin Liu, Jiaxin Tong, Yi Zhang, Binhua Zhou, Pengfei Tan, Rongjian Sa, Jun Pan
Summary: This study incorporates Pt clusters onto N vacancy engineered ultrathin g-C3N4 by a photo-deposition method to fabricate highly active photocatalysis. The Pt clusters on vUCN enable efficient electron transfer and band-gap optimization, resulting in superior photocatalytic performance.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Rongjian Sa, Yanjie Zhang, Yali Huang, Yuansong Ye, Xiaodan Huang, Huihui Zeng, Diwen Liu
Summary: In this study, a comprehensive theoretical analysis is conducted on the structural parameters, dynamic stability, elastic properties, and optoelectronic characteristics of YbZn2X2 (X = N, P, As, Sb). The results show that YbZn2N2 is dynamically stable and the elastic constants meet the mechanical stability criteria. The analysis of electronic properties reveals that YbZn2X2 (X = N, Sb) and YbZn2X2 (X = P, As) are direct and indirect band gap semiconductors, respectively. YbZn2As2 exhibits an optimal band gap of approximately 1.2 eV and a high optical absorption coefficient, making it a promising candidate for optoelectronic devices.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Physical
Zhiwei Wang, Shuaishuai Gao, Xiaojing Liu, Xin Chen, Xintao Zhang, Rongjian Sa, Qiaohong Li, Chenghua Sun, Zuju Ma
Summary: This study investigates the effect of curvature variation on the catalytic activity of silicon carbide nanotubes (SiCNTs) decorated with single-atom catalysts on nitrogen reduction reaction (NRR). The Os@SiCNT catalyst shows promising activity as an eNRR catalyst with high selectivity. The findings suggest that reducing the diameter of the nanotubes decreases the energy barrier of the NRR reaction but also reduces the adsorption capacity of N2, which may affect the selectivity.
MOLECULAR CATALYSIS
(2023)
Article
Chemistry, Physical
Diwen Liu, Huihui Zeng, Huan Peng, Rongjian Sa
Summary: This study investigates the relative stability and photoactive properties of chalcogenide perovskites AZrX(3) (A = Ca, Sr, Ba; X = S, Se) and reveals the difference in stability between the alpha and beta phases. Only the beta phase exhibits the fundamental direct gap transition, which is confirmed by its optical properties. Moreover, the distorted chalcogenide perovskites AZrS(3-x)Se(x) (x = 0, 1, 2, 3) are found to have suitable direct band gaps and high optical absorption coefficients. CaZrSe3, SrZrSe3, and BaZrSe3 are proposed as the most promising candidates for photovoltaic applications.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Qiqi Zhang, Meiyan Chen, Yanjie Zhang, Yuansong Ye, Diwen Liu, Chao Xu, Zuju Ma, BenYong Lou, Rusheng Yuan, Rongjian Sa
Summary: This study investigates the electronic structure of metal phthalocyanine covalent organic frameworks and the reaction process of CO2 reduction. The results show that these frameworks have a good photo response and are potential photocatalytic materials. Different frameworks exhibit different reaction mechanisms and selectivity in generating CO2 reduction products.
Article
Chemistry, Physical
Diwen Liu, Huihui Zeng, Huan Peng, Rongjian Sa
Summary: In this research, comprehensive theoretical calculations were conducted to investigate the structural features, stability, mechanical behavior, optoelectronic properties, and photovoltaic performance of inorganic Au-based halide perovskites. The study revealed that certain compounds exhibit high efficiency and suitable band gaps for single-junction solar cells, as well as high absorption coefficients in the visible region.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Analytical
Ying Xu, Yang Zhang, Zhiyu Li, Yuanrong Liao, Rongjian Sa, Hualiang Yu, Yizhi Wang, Jing Peng, Yan Lin, Jun Wang
Summary: Electrospinning is a crucial technique for fabricating polymer-stabilized composite nanofibers for surface-enhanced Raman scattering (SERS). Further exploration of the surface chemistry of these electro-spun composite substrates is crucial to manipulate the charge transfer (CT) effect and achieve synergistic effects between CT and localized surface plasmon resonance (LSPR) for enhanced bio-labeling and pesticide detection.
SENSORS AND ACTUATORS B-CHEMICAL
(2023)
Article
Chemistry, Multidisciplinary
Qiqi Zhang, Meiyan Chen, Yanjie Zhang, Yuansong Ye, Diwen Liu, Chao Xu, Zuju Ma, BenYong Lou, Rusheng Yuan, Rongjian Sa
Summary: Using solar photocatalytic CO2 reduction to produce high-value-added products is a promising solution to environmental problems caused by greenhouse gases. Metal phthalocyanine covalent organic frameworks (COFs) possess suitable band structures and strong light absorption ability, making them potential photocatalytic materials. The electronic structure and reaction process of CO2 reduction in three MPc-TFPN-COFs (M = Ni, Co, Fe) were studied using density functional theory calculations. The results demonstrate that these COFs have good photo response to visible light and show different reaction mechanisms and selectivity in generating CO2 reduction products.
Article
Materials Science, Multidisciplinary
Yanbin Wang, Xinyou Huang, Ziqiu Cheng, Penghui Chen, Yuyang Chen, Junhao Ye, Haohong Chen, Zhenzhen Zhou, Denis Yu Kosyanov, Jiang Li
Summary: Uniform Al2O3-Ce:LuAG composite phosphor ceramics (CPCs) with excellent luminescent properties and thermal stability have been successfully synthesized in this study, showing great potential for application in solid-state laser lighting.
Article
Materials Science, Multidisciplinary
Syed Muhammad Ali Zaidi, Mazhar Ali Kalyar, Zulfiqar Ali Raza, Aayesha Shoukat, Rubaila Waseem, Muhammad Aslam
Summary: Polyvinyl alcohol (PVA) nanocomposite strips embedded with graphene nanosheets and copper-ferrite nanoparticles were synthesized using solution casting technique. Laser pulse irradiations were then applied to modify the structural, optical, and electrical properties of the strips, showing potential for optoelectronic devices.
Article
Materials Science, Multidisciplinary
Yunru Chen, Jialing Wu, Jiajia Wang, Shihui Ma, Hongwei Yu
Summary: This paper investigates the angular non-critical phase-matching second-harmonic-generation properties of Ba3(ZnB5O10)PO4 crystal and explores its potential applications in the output spectral regions.
Article
Materials Science, Multidisciplinary
Qun Jing, Menglin Zhu, Lu Li, Xu Ji, Haiming Duan, Henglei Chen, Ming-Hsien Lee
Summary: The paper introduces two new nonlinear optical materials, MZnPO4 (M = Rb, Cs), synthesized by cation substitution. These materials exhibit a honeycomb-like structure and show mild SHG responses with short absorption edges. The thermal properties, IR spectra, and theoretical calculations of the materials are also discussed.
Article
Materials Science, Multidisciplinary
Camila Ianhez-Pereira, Akhil Kuriakose, Ariano De Giovanni Rodrigues, Ana Luiza Costa Silva, Ottavia Jedrkiewicz, Monica Bollani, Marcio Peron Franco de Godoy
Summary: This study aims to evaluate the crystalline changes induced by ultrafast laser micromachining on manganese oxide thin films using micro-Raman spectroscopy. The results show that laser-writing is effective in locally modifying low-crystallinity films and increasing crystallite sizes, highlighting an interesting approach to evaluate laser-induced structural modifications on metal oxide thin films.
Article
Materials Science, Multidisciplinary
Kamal Bansal, Neeraj Kumar Mishra, Ibrahim Abdullahi, Param Jeet Singh, Mohit Tyagi, Sukhpal Singh
Summary: A novel Sm3+ activated oxyfluoride glass was synthesized and its structure and properties were analyzed. The glass showed potential applications in lasers, optical temperature sensing, and high-energy scintillators.
Article
Materials Science, Multidisciplinary
Xingjian Wang, Zhixu Wu, Jiawei Zhu, Yubin Kang, Mengqiang Cai, Yong Xia, Hui Deng
Summary: Antimony sulfide (Sb2S3) has been investigated as a promising material for visible light photodetectors due to its non-toxicity, stability, and high absorption coefficient. In this study, we systematically explored the impact of key parameters on the performance of Sb2S3 devices using simulation and successfully fabricated self-powered photodetectors with high responsivity and specific detectivity. Furthermore, we demonstrated the application of the Sb2S3 detector in a scanning imaging system, showcasing its potential for developing new types of visible light detectors and imaging systems.
Article
Materials Science, Multidisciplinary
O. I. Sallam, R. M. Ahmed
Summary: The 20NaF-60P2O5-20Na2O fluorophosphate glass systems doped with 3 wt% of CoO and NiO were investigated for their optical parameters before and after gamma irradiation. The presence of defects within the glass network and the addition of transition metals were found to affect the properties of the composites. After irradiation, a red shift was observed in the dissipation factor spectrum. The energy lost at the surface of the composites was larger than the energy lost within the constituent materials. All investigated composites showed insulating behavior and exhibited increased nonlinear optical parameters after irradiation, with the CoO-doped composite showing the highest values.
Article
Materials Science, Multidisciplinary
Fahimeh Ahmadi, Zeinab Ebrahimpour, Asghar Asgari, Bao Van
Summary: In this study, Er3+-doped sulfophosphate glasses containing titanium nanoparticles (TiO2 NPs) and different concentrations of silver nanoparticles (AgNPs) were synthesized. The impact of AgNPs on the physical and structural characteristics, optical absorption and emission features, and photocatalytic activity of the glasses were investigated. The results showed that the addition of AgNPs enhanced the emission intensity of the glasses, with the system containing 0.04 mol% of AgNPs exhibiting optimal performance. Furthermore, the presence of AgNPs and TiO2 NPs in the glass matrix positively affected the photocatalytic performance.
Article
Materials Science, Multidisciplinary
Zhuang Li, Rongfei Huang, Wei Yuan, Shaoqiang Zheng, Wenlu Liao, Huiying Xu, Zhiping Cai
Summary: This study reports the first realization of an 868 nm Pr:YLF laser pumped by an InGaN blue laser diode. The laser achieved a maximum power of 641 mW with stable output and good beam quality. The experimental results were in agreement with theoretical simulations.
Article
Materials Science, Multidisciplinary
Bhishma Karki, Youssef Trabelsi, Amrindra Pal, Sofyan A. Taya, Ram Bharos Yadav
Summary: This study proposes an SF11 Prism- Ag- ZnO nanowires-CeO2-Sensing layer-based surface plasmon resonance sensor for measuring dopamine concentration in human blood. The sensor demonstrates high sensitivity and detection accuracy, and holds significant importance for early diagnosis of neurological diseases.
Article
Materials Science, Multidisciplinary
M. Taoufiq, A. Soussi, A. Elfanaoui, A. Ait Hssi, S. Baoubih, A. Ihlal, K. Bouabid
Summary: In this study, the effect of copper doping within ZnS on glass substrates was investigated through experimental and theoretical approaches. Pure ZnS and Cu-doped ZnS films with varying copper concentrations were deposited on glass substrates using the SILAR technique. The structural, morphological, and optical properties of the films were characterized, and the theoretical FP-LAPW method based on density functional theory was employed to study the properties of copper-doped ZnS.
